Benzo[d][1,3]dioxole-4-carboxylic acid

Name: Benzo[d][1,3]dioxole-4-carboxylic acid
Brand: ChemScene
Availability: InStock
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CAS No. 5768-39-8
Cat. No. CS-W022580
Purity≥96%
MDL No.MFCD01076411

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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Benzo[d][1,3]dioxole-4-carboxylic acid|CS-W022580

Structure of 5768-39-8

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Description

Benzo[d][1,3]dioxole-4-carboxylic acid features a rigid, electron-rich benzodioxole core paired with a carboxylic acid group, enabling direct incorporation into bioactive molecules. This structural motif enhances metabolic stability and solubility in medicinal chemistry applications. The compound serves as a key scaffold for drug discovery projects requiring aromatic heterocycles with balanced polarity and low toxicity.

Application

Benzo[d][1,3]dioxole-4-carboxylic acid serves as a versatile building block in medicinal chemistry and synthetic organic chemistry, enabling efficient access to bioactive heterocyclic scaffolds. Its ortho-dioxyphenyl carboxylic acid structure provides robust bench stability, facilitates direct functionalization at the carboxyl group, and supports diverse transformations including amide formation, esterification, and coupling reactions. The fused benzodioxole ring imparts favorable metabolic stability and lipophilicity modulation, making it a practical choice for constructing pharmacologically relevant core structures.

General Information

CAS No. 5768-39-8
Cat. No. CS-W022580
Purity ≥96%
MDL No. MFCD01076411
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆O₄
Molecular Weight 166.13
Synonym(s) 1,3-Benzodioxole-4-carboxylic acid
SMILES OC(=O)C1=CC=CC2=C1OCO2

Computational Chemistry Data

TPSA 55.76
LogP 1.1135
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Benzodioxolane compounds

Key Words

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Benzo[d][1,3]dioxole-4-carboxylic acid

CAS No. 5768-39-8

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